3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

C18H24N4O3S — CID 122341352

IUPAC3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1C
InChIInChI=1S/C18H24N4O3S/c1-4-25-17-7-6-16(13-14(17)2)26(23,24)22-11-9-21(10-12-22)18-8-5-15(3)19-20-18/h5-8,13H,4,9-12H2,1-3H3
InChIKeyZDITXADPNJGPBJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.00
Rot. Bonds5

About 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine

3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (PubChem CID 122341352) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
PubChem CID122341352
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1C
InChIInChI=1S/C18H24N4O3S/c1-4-25-17-7-6-16(13-14(17)2)26(23,24)22-11-9-21(10-12-22)18-8-5-15(3)19-20-18/h5-8,13H,4,9-12H2,1-3H3
InChIKeyZDITXADPNJGPBJ-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339376
6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347520
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 122340750
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339882
4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344594
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341348
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536
5-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 122341360
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine (CID 122341352) is 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1C.
What is the InChIKey of 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
The InChIKey is ZDITXADPNJGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-25-17-7-6-16(13-14(17)2)26(23,24)22-11-9-21(10-12-22)18-8-5-15(3)19-20-18/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine?
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine has a molecular weight of 376.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 122341352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).